General Information of the Compound
| Compound ID |
CP0579561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5178495
Show/Hide
|
||||||||||||||||||
| Formula |
C29H38N6O2S
|
||||||||||||||||||
| Molecular Weight |
534.73
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N6O2S/c1-18(2)28-33-32-19(3)35(28)25-16-23-10-11-24(17-25)34(23)13-12-26(27-9-6-14-38-27)31-29(37)21-7-5-8-22(15-21)30-20(4)36/h5-9,14-15,18,23-26H,10-13,16-17H2,1-4H3,(H,30,36)(H,31,37)/t23-,24+,25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDVGEUOSRRTZCI-QYOOZWMWSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound